Navegando por Palavras-chave "QSAR"

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    Drug design for ever, from hype to hope
    (Springer, 2012-01-01) Seddon, Gavin; Lounnas, Valère; McGuire, Ross; van den Bergh, Tom; Bywater, Robert Paul; Oliveira, Laerte [UNIFESP]; Vriend, Gerrit; Radboud Univ Nijmegen; Adelard Inst; BioAxis Res; Bioprodict; Univ Oxford Magdalen Coll; Universidade Federal de São Paulo (UNIFESP)
    In its first 25 years JCAMD has been disseminating a large number of techniques aimed at finding better medicines faster. These include genetic algorithms, COMFA, QSAR, structure based techniques, homology modelling, high throughput screening, combichem, and dozens more that were a hype in their time and that now are just a useful addition to the drug-designers toolbox. Despite massive efforts throughout academic and industrial drug design research departments, the number of FDA-approved new molecular entities per year stagnates, and the pharmaceutical industry is reorganising accordingly. the recent spate of industrial consolidations and the concomitant move towards outsourcing of research activities requires better integration of all activities along the chain from bench to bedside. the next 25 years will undoubtedly show a series of translational science activities that are aimed at a better communication between all parties involved, from quantum chemistry to bedside and from academia to industry. This will above all include understanding the underlying biological problem and optimal use of all available data.
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    Histamine H-4 Receptor Ligands: Future Applications and State of Art
    (Wiley-Blackwell, 2015-04-01) Correa, Michelle Fidelis [UNIFESP]; Santos Fernandes, Joao Paulo dos [UNIFESP]; Universidade Federal de São Paulo (UNIFESP)
    Histamine is a chemical transmitter found practically in whole organism and exerts its effects through the interaction with H-1 to H-4 histaminergic receptors. Specifically, H-4 receptors are found mainly in immune cells and blood-forming tissues, thus are involved in inflammatory and immune processes, as well as some actions in central nervous system. Therefore, H-4 receptor ligands can have applications in the treatment of chronic inflammatory and immune diseases and may be novel therapeutic option in these conditions. Several H-4 receptor ligands have been described from early 2000's until nowadays, being imidazole, indolecarboxamide, 2-aminopyrimidine, quinazoline, and quinoxaline scaffolds the most explored and discussed in this review. Moreover, several studies of molecular modeling using homology models of H-4 receptor and QSAR data of the ligands are summarized. the increasing and promising therapeutic applications are leading these compounds to clinical trials, which probably will be part of the next generation of blockbuster drugs.